* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    153    241     458
    1     0 S   NP   _N1_     1    29.09724    94.60981   -27.08706
    2     1 S   H    _HN1     2     1.02946    79.80824     2.64634
    3     1 S   H    _H1_     3     1.02826    28.83019  -158.55142
    4     1 S   H    _H2_     4     1.02800   126.74313  -102.73913
    5     1 S   CT   _CA1     5     1.50139   113.39940   110.62665
    6     5 S   HC   _HA1     6     1.09575   105.14691    90.30731
    7     5 S   CO3  _C1_     7     1.53758   112.41755   -29.88664
    8     7 S   O2Z  _O11     8     1.26381   115.00152   -43.45306
    9     7 S   O2Z  _O12     9     1.26230   114.94290   135.44286
   10     5 S   CT   _CB1    10     1.53043   107.39076  -151.75058
   11    10 S   HC   HB11    11     1.09847   109.31565   -49.23757
   12    10 S   HC   HB12    12     1.09809   110.49487    67.34540
   13    10 S   CT   _CG1    13     1.53039   112.65428  -170.14715
   14    13 S   HC   HG11    14     1.09563   110.78247   -68.02307
   15    13 S   HC   HG12    15     1.09666   109.66610    51.23674
   16    13 S   C    _CD1    16     1.51819   111.81203   171.75083
   17    16 S   O    _OE1    17     1.22776   123.09993    15.24100
   18    16 S   N    _N2_    18     1.38620   111.95262  -164.71901
   19    18 S   H    _HN2    19     1.01586   119.09120     0.32021
   20    18 S   CT1  _CA2    20     1.46246   123.39127   176.27637
   21    20 S   HC   _HA2    21     1.09737   109.20036    10.05692
   22    20 S   C    _C2_    22     1.53755   109.14395  -105.54195
   23    22 S   O    _O2_    23     1.23104   122.17146  -150.51289
   24    20 S   CT   _CB2    32     1.53319   111.57695   132.00850
   25    24 S   HC   HB21    33     1.09494   109.85867    57.51489
   26    24 S   HC   HB22    34     1.09527   110.21224   176.26723
   27    22 S   N    _N3_    24     1.38295   114.02587    37.02335
   28    27 S   H    _HN3    25     1.01517   119.62849    -3.21522
   29    24 S   S    _SG2    35     1.82699   111.57190   -64.07217
   30    27 S   CT   _CA3    26     1.45272   123.32392   177.26835
   31    30 S   HC   HA31    27     1.09546   107.52169   -64.88710
   32    30 S   HC   HA32    28     1.09556   107.99506    51.57924
   33    29 S   CT   _C11    36     1.83625    99.12756   178.88917
   34    33 S   HC   _H7_    37     1.09974   104.10173    54.34729
   35    30 S   CO3  _C3_    29     1.52985   114.02683   173.59807
   36    35 S   O2Z  _O31    30     1.26388   116.09921     0.40782
   37    35 S   O2Z  _O32    31     1.26427   114.41153  -179.54846
   38    33 S   CT   _C12    38     1.56659   120.55533   -64.76723
   39    38 S   OM   _O34    39     1.32286   112.60762   -30.05194
   40    38 S   HC   _H8_    40     1.09984   105.28598   101.07698
   41    38 S   CT   _C8_    41     1.57504   103.89039  -145.46953
   42    41 S   HC   _H4_    42     1.10280   111.27174   104.88796
   43    41 S   CT   _C9_    43     1.54936   106.56455   -11.03098
   44    43 S   HC   _H5_    44     1.09778   109.18631   150.74100
   45    43 S   CM   _C5_    45     1.51422   111.81009   -89.65404
   46    33 S   CT   _C10    78     1.53912   112.95971   168.63161
   47    46 S   HC   _H6_    79     1.09432   111.72654   -67.01568
   48    45 S   CM   _C6_    46     1.34206   120.93375    -7.24045
   49    48 S   HC   _H17    47     1.08200   123.65971   176.32971
   50    45 S   CT   _C4_    74     1.50009   117.97386   173.45234
   51    50 S   HC   _H14    75     1.09387   110.90078   -69.49493
   52    50 S   HC   _H15    76     1.09546   111.87970   170.49713
   53    50 S   HC   _H16    77     1.09478   110.28554    51.02510
   54    46 S   OH   _O35    80     1.42662   111.74050    53.57584
   55    54 S   HO   _H18    81     0.97167   107.52010   175.37310
   56    48 S   OS   _O33    48     1.36830   126.43976    -2.69079
   57    41 S   CO   _C7_    49     1.53706   113.24702  -133.76391
   58    57 S   HC   _H3_    50     1.09661   108.58099   -53.19157
   59    57 S   OS1  _O36    51     1.43708   107.82795  -170.69338
   60    59 S   CO1  _C13    52     1.43216   113.05984   167.90077
   61    60 S   HC   _H9_    53     1.09777   108.96109    49.51068
   62    60 S   CT   _C14    54     1.53381   107.22983   168.57578
   63    62 S   HC   _H10    55     1.09682   109.99807    52.61599
   64    62 S   CT   _C15    56     1.53072   111.20797   174.56430
   65    64 S   HC   _H11    57     1.09668   110.23039    73.68628
   66    62 S   OH5  _O41    72     1.42966   110.03978   -64.14009
   67    66 S   HO   _H24    73     0.97225   108.17792   -58.19609
   68    64 S   CT   _C16    58     1.53184   111.34392   -49.00886
   69    68 S   HC   _H12    59     1.09704   109.06770   -71.42031
   70    64 S   OH5  _O40    70     1.42954   109.64929  -170.43758
   71    70 S   HO   _H23    71     0.97241   108.12272    60.43014
   72    68 S   CT   _C17    60     1.53229   110.65895    49.82504
   73    72 S   HC   _H13    61     1.09835   110.93243    64.12620
   74    68 S   OH5  _O39    68     1.42607   109.67622   171.73587
   75    74 S   HO   _H22    69     0.97255   108.19532   -57.94926
   76    60 S   OS1  _O37    62     1.42843   110.71229   -71.64988
   77    72 S   CT   _C18    63     1.52981   111.54908  -175.05133
   78    77 S   HC   _H19    64     1.09505   110.99571    69.93932
   79    77 S   HC   _H20    65     1.09393   111.60176   -52.49685
   80    77 S   OH5  _O38    66     1.42498   109.01598  -171.39577
   81    80 S   HO   _H21    67     0.97235   107.04992  -177.00258
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1  14   6   5  14   8  16   7  11   6   2   9
   3   4   2   1   1   1   1   4   6   2   8  13   6  12   7  13
   7   4   1  12   7   3   1   9   6   3   1   4   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    46    47    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    57    46    47    54    55  
   38    39    40    41    43    46    47    54  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    56    57    58    59    46    47    54  
   40    41    42    43    57    46  
   41    42    43    57    46  
   42    43    44    45    48    56    57    58    59    60    50    46    47    54  
   43    44    45    56    57    58    59    46  
   44    45    48    49    56    57    58    59    50    51    52    53    46    47    54    55  
   45    48    57    50    46    47    54  
   48    49    56    57    50    51    52    53    46    47    54  
   47    54    55    48    50    57  
   54    55  
   49    56    57    58    59    50    51    52    53  
   56    57    50  
   51    52    53    56  
   52    53  
   53  
    0  
   55  
    0  
   57    58    59    60  
   58    59    60    61    62    76  
   59    60  
   60    61    62    63    64    72    76    66  
   61    62    63    64    65    68    72    73    76    77    70    66    67  
   62    63    64    72    76    66  
   63    64    65    68    69    72    76    74    70    71    66    67  
   64    65    68    76    70    66    67  
   65    68    69    72    73    76    77    74    75    70    71    66    67  
   68    69    72    74    70    71    66  
   67    68    70    76  
    0  
   69    72    73    76    77    78    79    80    74    75    70    71  
   72    73    76    77    74    75    70  
   71    72    74  
    0  
   73    76    77    78    79    80    81    74    75  
   76    77    78    79    80    74  
   75    76    77  
    0  
   77    78    79    80  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    46   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    57   250.000  1.527
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    46   268.000  1.529
   45    48   549.000  1.340
   45    50   317.000  1.510
   48    49   340.000  1.080
   48    56   440.000  1.360
   56    57   320.000  1.380
   57    58   340.000  1.090
   57    59   320.000  1.380
   59    60   370.000  1.399
   60    61   360.000  1.097
   60    62   255.000  1.525
   60    76   370.000  1.399
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   355.000  1.421
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   335.000  1.422
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   355.000  1.421
   80    81   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   66    67   580.000  0.967
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    55   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    46    43    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    54    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    57    75.00000  109.43000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    70.00000  112.02700
   41    43    46    58.35000  112.70000
   41    57    56    90.00000  108.56700
   41    57    58    45.00000  112.01100
   41    57    59    90.00000  108.56700
   43    41    42    37.50000  110.70000
   43    45    48    70.00000  124.00000
   43    45    50    65.00000  117.92700
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   45    43    44    35.00000  109.50000
   45    48    49    35.00000  120.00000
   45    48    56    80.00000  120.01400
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    53    35.00000  109.50000
   48    56    57    85.00000  113.97000
   56    48    49    55.00000  109.52600
   56    57    58    35.00000  109.50000
   56    57    59    92.60000  111.55000
   57    41    42    45.00000  108.72000
   57    41    43    75.00000  109.43000
   57    59    60    90.00000  112.10700
   59    57    58    35.00000  109.50000
   59    60    61    60.00000  105.75400
   59    60    62    90.00000  109.70700
   59    60    76   110.00000  113.16000
   60    62    63    45.00000  109.54000
   60    62    64    70.00000  111.10000
   60    62    66    90.00000  109.42000
   60    76    72    90.00000  112.10700
   62    60    61    45.00000  111.65000
   62    64    65    37.50000  110.70000
   62    64    68    58.35000  112.70000
   62    64    70    90.00000  111.45300
   62    66    67    65.00000  108.53500
   64    62    63    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    74    90.00000  111.45300
   64    70    71    65.00000  108.53500
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    95.00000  107.88500
   68    72    77    58.35000  112.70000
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    90.00000  111.45300
   76    60    61    60.00000  105.75400
   76    60    62    90.00000  109.70700
   76    72    73    55.00000  108.98800
   77    72    73    37.50000  110.70000
   77    72    76    95.00000  107.88500
   77    80    81    65.00000  108.53500
   79    77    78    33.00000  107.80000
   80    77    78    60.00000  109.39000
   80    77    79    60.00000  109.39000
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    64    65    60.00000  109.39000
   70    64    68    90.00000  111.45300
   66    62    63    60.00000  109.39000
   66    62    64    90.00000  111.45300
   50    45    48    70.00000  124.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    43    44    37.50000  110.70000
   46    43    45    70.00000  112.02700
   46    54    55    55.00000  108.50000
   54    46    47    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    54   0.56750  1.0 1.0
   29    33    46    54  -0.07550 -1.0 2.0
   29    33    46    54   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38   -41    43   0.56750  1.0 1.0
   33    38   -41    43  -0.07550 -1.0 2.0
   33    38   -41    43   0.20000  1.0 3.0
   33    38    41    57   3.97050  1.0 1.0
   33    46    54    55  -0.11600  1.0 1.0
   33    46    54    55  -0.09450 -1.0 2.0
   33    46    54    55   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    46    43   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    54   0.23400  1.0 3.0
   38    33   -46    43   0.56750  1.0 1.0
   38    33   -46    43  -0.07550 -1.0 2.0
   38    33   -46    43   0.20000  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    54   0.86500  1.0 1.0
   38    33    46    54  -0.17500 -1.0 2.0
   38    33    46    54   0.20800  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.34400  1.0 1.0
   38    41    43    45   0.09450 -1.0 2.0
   38    41    43    45   0.11100  1.0 3.0
   38    41   -43    46   0.56750  1.0 1.0
   38    41   -43    46  -0.07550 -1.0 2.0
   38    41   -43    46   0.20000  1.0 3.0
   38    41    57    56   0.62750  1.0 1.0
   38    41    57    56  -0.30950 -1.0 2.0
   38    41    57    56   0.27300  1.0 3.0
   38    41    57    58   0.15000  1.0 3.0
   38    41    57    59   0.62750  1.0 1.0
   38    41    57    59  -0.30950 -1.0 2.0
   38    41    57    59   0.27300  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    57   0.62750  1.0 1.0
   39    38    41    57  -0.30950 -1.0 2.0
   39    38    41    57   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    57   0.15000  1.0 3.0
   41    43    45    48   0.09850  1.0 1.0
   41    43    45    48   0.15250 -1.0 2.0
   41    43    45    48  -0.50650  1.0 3.0
   41    43    45    50   0.46850  1.0 1.0
   41    43    45    50   0.08550 -1.0 2.0
   41    43    45    50   0.09800  1.0 3.0
   41    43   -46    33   0.56750  1.0 1.0
   41    43   -46    33  -0.07550 -1.0 2.0
   41    43   -46    33   0.20000  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    54   0.86500  1.0 1.0
   41    43    46    54  -0.17500 -1.0 2.0
   41    43    46    54   0.20800  1.0 3.0
   41    57    59    60   0.06250  1.0 1.0
   41    57    59    60  -0.01100 -1.0 2.0
   41    57    59    60   0.28050  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    57    56   0.23400  1.0 3.0
   42    41    57    58   0.15000  1.0 3.0
   42    41    57    59   0.23400  1.0 3.0
   43    41    57    56   0.62750  1.0 1.0
   43    41    57    56  -0.30950 -1.0 2.0
   43    41    57    56   0.27300  1.0 3.0
   43    41    57    58   0.15000  1.0 3.0
   43    41    57    59   0.62750  1.0 1.0
   43    41    57    59  -0.30950 -1.0 2.0
   43    41    57    59   0.27300  1.0 3.0
   43    45    48    49   7.00000 -1.0 2.0
   43    45   -48    56   7.00000 -1.0 2.0
   43    45    50    51   0.34800  1.0 3.0
   43    45    50    52   0.34800  1.0 3.0
   43    45    50    53   0.34800  1.0 3.0
   43    46    54    55  -0.11600  1.0 1.0
   43    46    54    55  -0.09450 -1.0 2.0
   43    46    54    55   0.21250  1.0 3.0
   44    43    45    48   0.00000  1.0 1.0
   44    43    45    50   0.34800  1.0 3.0
   44    43    46    33   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.23400  1.0 3.0
   45    43    46    33   0.34400  1.0 1.0
   45    43    46    33   0.09450 -1.0 2.0
   45    43    46    33   0.11100  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    54   1.05650  1.0 1.0
   45    43    46    54   0.15600 -1.0 2.0
   45    43    46    54   0.53150  1.0 3.0
   45    48    56    57  -2.26850  1.0 1.0
   45    48    56    57   3.39050 -1.0 2.0
   48    45    50    51   0.00000  1.0 1.0
   48    45    50    52   0.00000  1.0 1.0
   48    45    50    53   0.00000  1.0 1.0
   48    56   -57    41  -0.46850  1.0 1.0
   48    56   -57    41   0.09300 -1.0 2.0
   48    56   -57    41  -0.12850  1.0 3.0
   48    56    57    58   0.08050  1.0 3.0
   48    56    57    59  -0.48150  1.0 1.0
   48    56    57    59   0.09250 -1.0 2.0
   48    56    57    59  -0.12850  1.0 3.0
   49    48    56    57   0.50000 -1.0 2.0
   56    57    59    60  -0.53350  1.0 1.0
   56    57    59    60  -0.78350 -1.0 2.0
   56    57    59    60   0.33750  1.0 3.0
   57    41    43    44   0.15000  1.0 3.0
   57    41   -43    45   0.34400  1.0 1.0
   57    41   -43    45   0.09450 -1.0 2.0
   57    41   -43    45   0.11100  1.0 3.0
   57    41    43    46   3.97050  1.0 1.0
   57    59    60    61   0.37050  1.0 3.0
   57    59    60    62   0.06250  1.0 1.0
   57    59    60    62  -0.01100 -1.0 2.0
   57    59    60    62   0.28050  1.0 3.0
   57    59    60    76  -0.12700  1.0 1.0
   57    59    60    76  -1.16200 -1.0 2.0
   57    59    60    76   0.58800  1.0 3.0
   58    57    59    60   0.37050  1.0 3.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    64   0.62750  1.0 1.0
   59    60    62    64  -0.30950 -1.0 2.0
   59    60    62    64   0.27300  1.0 3.0
   59    60    62    66   1.51850  1.0 1.0
   59    60    76    72  -0.70400  1.0 1.0
   59    60    76    72  -0.90350 -1.0 2.0
   60    62    64    65   0.15000  1.0 3.0
   60    62    64    68   0.56750  1.0 1.0
   60    62    64    68  -0.07550 -1.0 2.0
   60    62    64    68   0.20000  1.0 3.0
   60    62    64    70  -0.47750  1.0 1.0
   60    62    66    67   0.29150  1.0 1.0
   60    62    66    67  -0.28350 -1.0 2.0
   60    62    66    67   0.43600  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    66   0.23400  1.0 3.0
   61    60    76    72   0.37050  1.0 3.0
   62    60    76    72   0.06250  1.0 1.0
   62    60    76    72  -0.01100 -1.0 2.0
   62    60    76    72   0.28050  1.0 3.0
   62    64    68    69   0.15000  1.0 3.0
   62    64   -68    72   0.56750  1.0 1.0
   62    64   -68    72  -0.07550 -1.0 2.0
   62    64   -68    72   0.20000  1.0 3.0
   62    64    68    74  -0.47750  1.0 1.0
   62    64    70    71   0.29150  1.0 1.0
   62    64    70    71  -0.28350 -1.0 2.0
   62    64    70    71   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    68   0.15000  1.0 3.0
   63    62    64    70   0.23400  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   64    62    66    67   0.29150  1.0 1.0
   64    62    66    67  -0.28350 -1.0 2.0
   64    62    66    67   0.43600  1.0 3.0
   64    68    72    73   0.15000  1.0 3.0
   64    68    72    76   0.62750  1.0 1.0
   64    68    72    76  -0.30950 -1.0 2.0
   64    68    72    76   0.27300  1.0 3.0
   64    68    72    77   0.56750  1.0 1.0
   64    68    72    77  -0.07550 -1.0 2.0
   64    68    72    77   0.20000  1.0 3.0
   64    68    74    75   0.29150  1.0 1.0
   64    68    74    75  -0.28350 -1.0 2.0
   64    68    74    75   0.43600  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.15000  1.0 3.0
   65    64    68    74   0.23400  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71   0.29150  1.0 1.0
   68    64    70    71  -0.28350 -1.0 2.0
   68    64    70    71   0.43600  1.0 3.0
   68    72   -76    60   0.06250  1.0 1.0
   68    72   -76    60  -0.01100 -1.0 2.0
   68    72   -76    60   0.28050  1.0 3.0
   68    72    77    78   0.15000  1.0 3.0
   68    72    77    79   0.15000  1.0 3.0
   68    72    77    80  -0.47750  1.0 1.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.23400  1.0 3.0
   69    68    72    77   0.15000  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    77    80    81   0.29150  1.0 1.0
   72    77    80    81  -0.28350 -1.0 2.0
   72    77    80    81   0.43600  1.0 3.0
   73    72    76    60   0.37050  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.23400  1.0 3.0
   76    60    62    63   0.23400  1.0 3.0
   76    60   -62    64   0.62750  1.0 1.0
   76    60   -62    64  -0.30950 -1.0 2.0
   76    60   -62    64   0.27300  1.0 3.0
   76    60    62    66   1.51850  1.0 1.0
   76    72    77    78   0.23400  1.0 3.0
   76    72    77    79   0.23400  1.0 3.0
   76    72    77    80   1.51850  1.0 1.0
   77    72    76    60   0.06250  1.0 1.0
   77    72    76    60  -0.01100 -1.0 2.0
   77    72    76    60   0.28050  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76   1.51850  1.0 1.0
   74    68    72    77  -0.47750  1.0 1.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72  -0.47750  1.0 1.0
   70    64    68    74   3.77950  1.0 1.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    68  -0.47750  1.0 1.0
   66    62    64    70   3.77950  1.0 1.0
   50    45    48    49   7.00000 -1.0 2.0
   50    45    48    56   7.00000 -1.0 2.0
   46    33    38    39   0.62750  1.0 1.0
   46    33    38    39  -0.30950 -1.0 2.0
   46    33    38    39   0.27300  1.0 3.0
   46    33    38    40   0.15000  1.0 3.0
   46    33   -38    41   0.56750  1.0 1.0
   46    33   -38    41  -0.07550 -1.0 2.0
   46    33   -38    41   0.20000  1.0 3.0
   46    43    45    48   0.09850  1.0 1.0
   46    43    45    48   0.15250 -1.0 2.0
   46    43    45    48  -0.50650  1.0 3.0
   46    43    45    50   0.46850  1.0 1.0
   46    43    45    50   0.08550 -1.0 2.0
   46    43    45    50   0.09800  1.0 3.0
   47    46    54    55   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    50    45    48   1.10000 -1.0 2.0
   56    49    48    45   1.10000 -1.0 2.0
END
